1-[bromo(dideuterio)methyl]-3-chloro-2-fluorobenzene;1-O-tert-butyl 4-O-methyl 4-[(6-bromo-2-pyridinyl)methyl]-2-methylpiperidine-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 2-methyl-4-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-1,4-dicarboxylate;1-[(3-chloro-2-fluorophenyl)-dideuteriomethyl]-2-methyl-4-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylic acid;methyl 1-[(3-chloro-2-fluorophenyl)-dideuteriomethyl]-2-methyl-4-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylate;methyl 2-methyl-4-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylate;1,3-thiazol-2-amine

C115H138Br2Cl3F3N20O14S5 — CID 161467385

About 1-[bromo(dideuterio)methyl]-3-chloro-2-fluorobenzene;1-O-tert-butyl 4-O-methyl 4-[(6-bromo-2-pyridinyl)methyl]-2-methylpiperidine-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 2-methyl-4-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-1,4-dicarboxylate;1-[(3-chloro-2-fluorophenyl)-dideuteriomethyl]-2-methyl-4-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylic acid;methyl 1-[(3-chloro-2-fluorophenyl)-dideuteriomethyl]-2-methyl-4-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylate;methyl 2-methyl-4-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylate;1,3-thiazol-2-amine

1-[bromo(dideuterio)methyl]-3-chloro-2-fluorobenzene;1-O-tert-butyl 4-O-methyl 4-[(6-bromo-2-pyridinyl)methyl]-2-methylpiperidine-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 2-methyl-4-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-1,4-dicarboxylate;1-[(3-chloro-2-fluorophenyl)-dideuteriomethyl]-2-methyl-4-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylic acid;methyl 1-[(3-chloro-2-fluorophenyl)-dideuteriomethyl]-2-methyl-4-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylate;methyl 2-methyl-4-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylate;1,3-thiazol-2-amine (PubChem CID 161467385) has the molecular formula C115H138Br2Cl3F3N20O14S5 and a molecular weight of 2514.03 g/mol. Its IUPAC name is 1-[bromo(dideuterio)methyl]-3-chloro-2-fluorobenzene;1-O-tert-butyl 4-O-methyl 4-[(6-bromo-2-pyridinyl)methyl]-2-methylpiperidine-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 2-methyl-4-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-1,4-dicarboxylate;1-[(3-chloro-2-fluorophenyl)-dideuteriomethyl]-2-methyl-4-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylic acid;methyl 1-[(3-chloro-2-fluorophenyl)-dideuteriomethyl]-2-methyl-4-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylate;methyl 2-methyl-4-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylate;1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: 1-[bromo(dideuterio)methyl]-3-chloro-2-fluorobenzene;1-O-tert-butyl 4-O-methyl 4-[(6-bromo-2-pyridinyl)methyl]-2-methylpiperidine-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 2-methyl-4-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-1,4-dicarboxylate;1-[(3-chloro-2-fluorophenyl)-dideuteriomethyl]-2-methyl-4-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylic acid;methyl 1-[(3-chloro-2-fluorophenyl)-dideuteriomethyl]-2-methyl-4-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylate;methyl 2-methyl-4-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylate;1,3-thiazol-2-amine
• PubChem CID: 161467385
• Molecular Formula: C115H138Br2Cl3F3N20O14S5
• Molecular Weight: 2514.03 g/mol
• Exact Mass: 2508.71
• IUPAC Name: 1-[bromo(dideuterio)methyl]-3-chloro-2-fluorobenzene;1-O-tert-butyl 4-O-methyl 4-[(6-bromo-2-pyridinyl)methyl]-2-methylpiperidine-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 2-methyl-4-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-1,4-dicarboxylate;1-[(3-chloro-2-fluorophenyl)-dideuteriomethyl]-2-methyl-4-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylic acid;methyl 1-[(3-chloro-2-fluorophenyl)-dideuteriomethyl]-2-methyl-4-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylate;methyl 2-methyl-4-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylate;1,3-thiazol-2-amine
• SMILES: COC(=O)C1(Cc2cccc(Br)n2)CCN(C(=O)OC(C)(C)C)C(C)C1.COC(=O)C1(Cc2cccc(Nc3nccs3)n2)CCN(C(=O)OC(C)(C)C)C(C)C1.COC(=O)C1(Cc2cccc(Nc3nccs3)n2)CCNC(C)C1.Nc1nccs1.[2H]C([2H])(Br)c1cccc(Cl)c1F.[2H]C([2H])(c1cccc(Cl)c1F)N1CCC(Cc2cccc(Nc3nccs3)n2)(C(=O)O)CC1C.[2H]C([2H])(c1cccc(Cl)c1F)N1CCC(Cc2cccc(Nc3nccs3)n2)(C(=O)OC)CC1C
• InChI: InChI=1S/C24H26ClFN4O2S.C23H24ClFN4O2S.C22H30N4O4S.C19H27BrN2O4.C17H22N4O2S.C7H5BrClF.C3H4N2S/c1-16-13-24(22(31)32-2,9-11-30(16)15-17-5-3-7-19(25)21(17)26)14-18-6-4-8-20(28-18)29-23-27-10-12-33-23;1-15-12-23(21(30)31,8-10-29(15)14-16-4-2-6-18(24)20(16)25)13-17-5-3-7-19(27-17)28-22-26-9-11-32-22;1-15-13-22(18(27)29-5,9-11-26(15)20(28)30-21(2,3)4)14-16-7-6-8-17(24-16)25-19-23-10-12-31-19;1-13-11-19(16(23)25-5,12-14-7-6-8-15(20)21-14)9-10-22(13)17(24)26-18(2,3)4;1-12-10-17(6-7-18-12,15(22)23-2)11-13-4-3-5-14(20-13)21-16-19-8-9-24-16;8-4-5-2-1-3-6(9)7(5)10;4-3-5-1-2-6-3/h3-8,10,12,16H,9,11,13-15H2,1-2H3,(H,27,28,29);2-7,9,11,15H,8,10,12-14H2,1H3,(H,30,31)(H,26,27,28);6-8,10,12,15H,9,11,13-14H2,1-5H3,(H,23,24,25);6-8,13H,9-12H2,1-5H3;3-5,8-9,12,18H,6-7,10-11H2,1-2H3,(H,19,20,21);1-3H,4H2;1-2H,(H2,4,5)/i15D2;14D2;;;;4D2
• InChIKey: WCPUAWXBJMQNJC-DSCVSCFSSA-N
• XLogP: 26.06
• TPSA: 423.13 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 36
• Rotatable Bonds: 28
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2514.03
LogP ≤ 5	26.06
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[bromo(dideuterio)methyl]-3-chloro-2-fluorobenzene;1-O-tert-butyl 4-O-methyl 4-[(6-bromo-2-pyridinyl)methyl]-2-methylpiperidine-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 2-methyl-4-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-1,4-dicarboxylate;1-[(3-chloro-2-fluorophenyl)-dideuteriomethyl]-2-methyl-4-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylic acid;methyl 1-[(3-chloro-2-fluorophenyl)-dideuteriomethyl]-2-methyl-4-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylate;methyl 2-methyl-4-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylate;1,3-thiazol-2-amine?

The IUPAC name of 1-[bromo(dideuterio)methyl]-3-chloro-2-fluorobenzene;1-O-tert-butyl 4-O-methyl 4-[(6-bromo-2-pyridinyl)methyl]-2-methylpiperidine-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 2-methyl-4-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-1,4-dicarboxylate;1-[(3-chloro-2-fluorophenyl)-dideuteriomethyl]-2-methyl-4-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylic acid;methyl 1-[(3-chloro-2-fluorophenyl)-dideuteriomethyl]-2-methyl-4-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylate;methyl 2-methyl-4-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylate;1,3-thiazol-2-amine (CID 161467385) is 1-[bromo(dideuterio)methyl]-3-chloro-2-fluorobenzene;1-O-tert-butyl 4-O-methyl 4-[(6-bromo-2-pyridinyl)methyl]-2-methylpiperidine-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 2-methyl-4-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-1,4-dicarboxylate;1-[(3-chloro-2-fluorophenyl)-dideuteriomethyl]-2-methyl-4-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylic acid;methyl 1-[(3-chloro-2-fluorophenyl)-dideuteriomethyl]-2-methyl-4-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylate;methyl 2-methyl-4-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylate;1,3-thiazol-2-amine.

What is the SMILES notation for 1-[bromo(dideuterio)methyl]-3-chloro-2-fluorobenzene;1-O-tert-butyl 4-O-methyl 4-[(6-bromo-2-pyridinyl)methyl]-2-methylpiperidine-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 2-methyl-4-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-1,4-dicarboxylate;1-[(3-chloro-2-fluorophenyl)-dideuteriomethyl]-2-methyl-4-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylic acid;methyl 1-[(3-chloro-2-fluorophenyl)-dideuteriomethyl]-2-methyl-4-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylate;methyl 2-methyl-4-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylate;1,3-thiazol-2-amine?

The canonical SMILES for 1-[bromo(dideuterio)methyl]-3-chloro-2-fluorobenzene;1-O-tert-butyl 4-O-methyl 4-[(6-bromo-2-pyridinyl)methyl]-2-methylpiperidine-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 2-methyl-4-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-1,4-dicarboxylate;1-[(3-chloro-2-fluorophenyl)-dideuteriomethyl]-2-methyl-4-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylic acid;methyl 1-[(3-chloro-2-fluorophenyl)-dideuteriomethyl]-2-methyl-4-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylate;methyl 2-methyl-4-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylate;1,3-thiazol-2-amine is COC(=O)C1(Cc2cccc(Br)n2)CCN(C(=O)OC(C)(C)C)C(C)C1.COC(=O)C1(Cc2cccc(Nc3nccs3)n2)CCN(C(=O)OC(C)(C)C)C(C)C1.COC(=O)C1(Cc2cccc(Nc3nccs3)n2)CCNC(C)C1.Nc1nccs1.[2H]C([2H])(Br)c1cccc(Cl)c1F.[2H]C([2H])(c1cccc(Cl)c1F)N1CCC(Cc2cccc(Nc3nccs3)n2)(C(=O)O)CC1C.[2H]C([2H])(c1cccc(Cl)c1F)N1CCC(Cc2cccc(Nc3nccs3)n2)(C(=O)OC)CC1C.

What is the InChIKey of 1-[bromo(dideuterio)methyl]-3-chloro-2-fluorobenzene;1-O-tert-butyl 4-O-methyl 4-[(6-bromo-2-pyridinyl)methyl]-2-methylpiperidine-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 2-methyl-4-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-1,4-dicarboxylate;1-[(3-chloro-2-fluorophenyl)-dideuteriomethyl]-2-methyl-4-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylic acid;methyl 1-[(3-chloro-2-fluorophenyl)-dideuteriomethyl]-2-methyl-4-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylate;methyl 2-methyl-4-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylate;1,3-thiazol-2-amine?

The InChIKey is WCPUAWXBJMQNJC-DSCVSCFSSA-N. The full InChI is InChI=1S/C24H26ClFN4O2S.C23H24ClFN4O2S.C22H30N4O4S.C19H27BrN2O4.C17H22N4O2S.C7H5BrClF.C3H4N2S/c1-16-13-24(22(31)32-2,9-11-30(16)15-17-5-3-7-19(25)21(17)26)14-18-6-4-8-20(28-18)29-23-27-10-12-33-23;1-15-12-23(21(30)31,8-10-29(15)14-16-4-2-6-18(24)20(16)25)13-17-5-3-7-19(27-17)28-22-26-9-11-32-22;1-15-13-22(18(27)29-5,9-11-26(15)20(28)30-21(2,3)4)14-16-7-6-8-17(24-16)25-19-23-10-12-31-19;1-13-11-19(16(23)25-5,12-14-7-6-8-15(20)21-14)9-10-22(13)17(24)26-18(2,3)4;1-12-10-17(6-7-18-12,15(22)23-2)11-13-4-3-5-14(20-13)21-16-19-8-9-24-16;8-4-5-2-1-3-6(9)7(5)10;4-3-5-1-2-6-3/h3-8,10,12,16H,9,11,13-15H2,1-2H3,(H,27,28,29);2-7,9,11,15H,8,10,12-14H2,1H3,(H,30,31)(H,26,27,28);6-8,10,12,15H,9,11,13-14H2,1-5H3,(H,23,24,25);6-8,13H,9-12H2,1-5H3;3-5,8-9,12,18H,6-7,10-11H2,1-2H3,(H,19,20,21);1-3H,4H2;1-2H,(H2,4,5)/i15D2;14D2;;;;4D2;.

What are the key properties of 1-[bromo(dideuterio)methyl]-3-chloro-2-fluorobenzene;1-O-tert-butyl 4-O-methyl 4-[(6-bromo-2-pyridinyl)methyl]-2-methylpiperidine-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 2-methyl-4-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-1,4-dicarboxylate;1-[(3-chloro-2-fluorophenyl)-dideuteriomethyl]-2-methyl-4-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylic acid;methyl 1-[(3-chloro-2-fluorophenyl)-dideuteriomethyl]-2-methyl-4-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylate;methyl 2-methyl-4-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylate;1,3-thiazol-2-amine?

1-[bromo(dideuterio)methyl]-3-chloro-2-fluorobenzene;1-O-tert-butyl 4-O-methyl 4-[(6-bromo-2-pyridinyl)methyl]-2-methylpiperidine-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 2-methyl-4-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-1,4-dicarboxylate;1-[(3-chloro-2-fluorophenyl)-dideuteriomethyl]-2-methyl-4-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylic acid;methyl 1-[(3-chloro-2-fluorophenyl)-dideuteriomethyl]-2-methyl-4-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylate;methyl 2-methyl-4-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylate;1,3-thiazol-2-amine has a molecular weight of 2514.03 g/mol, XLogP of 26.06, 28 rotatable bonds, 7 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[bromo(dideuterio)methyl]-3-chloro-2-fluorobenzene;1-O-tert-butyl 4-O-methyl 4-[(6-bromo-2-pyridinyl)methyl]-2-methylpiperidine-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 2-methyl-4-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-1,4-dicarboxylate;1-[(3-chloro-2-fluorophenyl)-dideuteriomethyl]-2-methyl-4-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylic acid;methyl 1-[(3-chloro-2-fluorophenyl)-dideuteriomethyl]-2-methyl-4-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylate;methyl 2-methyl-4-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylate;1,3-thiazol-2-amine is sourced from PubChem (CID 161467385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).